SCHEMBL3777938

SCHEMBL3777938

CCc1cn(-c2ccccc2)nn1

nearest known ligand 0.68

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 3/20 0.68
L3MBTL1 Q9Y468 2/20 0.68
MAOA P21397 1/20 0.68
DRD2 P14416 3/20 0.57
DRD4 P21917 3/20 0.57
DRD3 P35462 3/20 0.57
NPC1 O15118 1/20 0.54
CD74 P04233 1/20 0.53
MIF P14174 1/20 0.53
GLA P06280 1/20 0.51
HDAC8 Q9BY41 1/20 0.50
KDM1A O60341 1/20 0.50
P2RX7 Q99572 1/20 0.50
POLB P06746 1/20 0.50

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
Bromide SCHEMBL1882333 0.98 NOTUM (0.66) NOTUML3MBTL1MAOADRD2DRD4
SCHEMBL12601113 0.85 NOTUM (0.64) NOTUML3MBTL1MAOADRD2DRD4
Bromide SCHEMBL1894577 0.84 NOTUM (0.62) NOTUML3MBTL1MAOADRD2DRD4
SCHEMBL15729971 0.83 MIF (0.64) NOTUML3MBTL1MAOADRD2DRD4
SCHEMBL20468184 0.83 NOTUM (0.72) NOTUML3MBTL1MIFP2RX7POLB
SCHEMBL3406910 0.82 NOTUM (0.48) NOTUML3MBTL1MAOADRD2DRD4
SCHEMBL16271168 0.81 NOTUM (0.64) NOTUML3MBTL1MAOADRD2DRD4
SCHEMBL22111817 0.81 MIF (0.69) NOTUML3MBTL1CD74MIFP2RX7
SCHEMBL19220666 0.81 KDM4E (0.70) NOTUML3MBTL1NPC1P2RX7
SCHEMBL12224095 0.81 RXRA (0.54) NOTUMMIFP2RX7

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 15 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023096928-A1 HETERO-ATOM CONTAINING COMPOUNDS AND USES THEREOF KUMQUAT BIOSCIENCES INC. (US) 2023-06-01 WO disclosed
US-9981950-B2 Triazoles as NR2B receptor inhibitors Janssen Pharmaceuticals, Inc. (US) 2018-05-29 US disclosed
US-20170226087-A1 TRIAZOLES AS NR2B RECEPTOR INHIBITORS JANSSEN PHARMACEUTICALS INC (US) 2017-08-10 US disclosed
EP-2303270-B1 ACYLAMINO-SUBSTITUTED FUSED CYCLOPENTANECARBOXYLIC ACID DERIVATIVES AND THEIR USE AS PHARMACEUTICALS SANOFI SA (FR) 2017-05-17 EP disclosed
CN-104402834-B 1,4-disubstituted-1,2,3-triazole compound preparation method 河南师范大学 2017-02-22 CN disclosed
US-20160272577-A1 ACYLAMINO-SUBSTITUTED FUSED CYCLOPENTANECARBOXYLIC ACID DERIVATIVES AND THEIR USE AS PHARMACEUTICALS SANOFI SA (FR) 2016-09-22 US disclosed
US-9328071-B2 Acylamino-substituted fused cyclopentanecarboxylic acid derivatives and their use as pharmaceuticals SANOFI (FR) 2016-05-03 US disclosed
CN-104402834-A 1,4-disubstituted-1,2,3-triazole compound preparation method UNIV HENAN NORMAL 2015-03-11 CN disclosed
WO-2015022335-A1 VANCOMYCIN ANALOGS KATHOLIEKE UNIVERSITEIT LEUVEN (BE) 2015-02-19 WO disclosed
US-20140309264-A1 ACYLAMINO-SUBSTITUTED FUSED CYCLOPENTANECARBOXYLIC ACID DERIVATIVES AND THEIR USE AS PHARMACEUTICALS SANOFI (FR) 2014-10-16 US disclosed
US-8802720-B2 Acylamino-substituted fused cyclopentanecarboxylic acid derivatives and their use as pharmaceuticals SANOFI (FR) 2014-08-12 US disclosed
US-20130225605-A1 ACYLAMINO-SUBSTITUTED FUSED CYCLOPENTANECARBOXYLIC ACID DERIVATIVES AND THEIR USE AS PHARMACEUTICALS SANOFI (FR) 2013-08-29 US disclosed
US-8445530-B2 Acylamino-substituted fused cyclopentanecarboxylic acid derivatives and their use as pharmaceuticals SANOFI (FR) 2013-05-21 US disclosed
EP-2201006-A1 (R)-4-(HETEROARYL) PHENYLETHYL DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM Dompé S.p.a. (IT) 2010-06-30 EP disclosed
WO-2009050258-A1 (R)-4-(HETEROARYL) PHENYLETHYL DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM Dompé S.p.A. (IT) 2009-04-23 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (4 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20160272577-A1 ACYLAMINO-SUBSTITUTED FUSED CYCLOPENTANECARBOXYLIC ACID DERIVATIVES AND THEIR USE AS PHARMACEUTICALS EDF1, LPAR2, LIPG NOTUM 3259/4885L3MBTL1 1640/4885MAOA 1693/4885
US-20130225605-A1 ACYLAMINO-SUBSTITUTED FUSED CYCLOPENTANECARBOXYLIC ACID DERIVATIVES AND THEIR USE AS PHARMACEUTICALS EDF1, LPAR2, LIPG NOTUM 3259/4885L3MBTL1 1640/4885MAOA 1693/4885
US-20170226087-A1 TRIAZOLES AS NR2B RECEPTOR INHIBITORS GRIN2B, GRIN1, GRIN3A NOTUM 4536/4885L3MBTL1 4816/4885MAOA 520/4885
US-20140309264-A1 ACYLAMINO-SUBSTITUTED FUSED CYCLOPENTANECARBOXYLIC ACID DERIVATIVES AND THEIR USE AS PHARMACEUTICALS EDF1, LPAR2, LIPG NOTUM 3259/4885L3MBTL1 1640/4885MAOA 1693/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.